2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane

C11H20O2 — CID 176604612

IUPAC2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OCCC1(C)CCCCO1
InChIInChI=1S/C11H20O2/c1-3-8-12-10-7-11(2)6-4-5-9-13-11/h3,8H,4-7,9-10H2,1-2H3/b8-3+
InChIKeyFQKFXCJOXZAOEV-FPYGCLRLSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds4

About 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane

2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane (PubChem CID 176604612) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane.

Molecular Properties

Compound Name2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane
PubChem CID176604612
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OCCC1(C)CCCCO1
InChIInChI=1S/C11H20O2/c1-3-8-12-10-7-11(2)6-4-5-9-13-11/h3,8H,4-7,9-10H2,1-2H3/b8-3+
InChIKeyFQKFXCJOXZAOEV-FPYGCLRLSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-4-[(E)-2-(methyloxy)ethenyl]tetrahydro-2H-pyran
CID 57699609
4-(2-Methoxyethenyl)-2,2-dimethyloxane
CID 67314163
2,2,3-Trimethyl-3-(3-prop-1-enoxypropyl)oxane
CID 150344838
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603700
2-(2-Ethenoxyethyl)-2-methyloxane
CID 176603794
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603915
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxepane
CID 176604031
3-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176604178
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 176604335
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxane
CID 176604881
3-[1-[(E)-prop-1-enoxy]ethyl]oxepane
CID 176605034
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176605332

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The IUPAC name of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane (CID 176604612) is 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane.
What is the SMILES notation for 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The canonical SMILES for 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane is C/C=C/OCCC1(C)CCCCO1.
What is the InChIKey of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The InChIKey is FQKFXCJOXZAOEV-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-8-12-10-7-11(2)6-4-5-9-13-11/h3,8H,4-7,9-10H2,1-2H3/b8-3+.
What are the key properties of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane?
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane is sourced from PubChem (CID 176604612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).